SCHEMBL14059339

SCHEMBL14059339

CC1=C(C(=O)O)CCCc2ccc(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ATM Q13315 1/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 3/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
MAPT P10636 4/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 2/20 0.34
RECQL P46063 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14059627 0.84 GAA (0.41) NPC1RAB9AATMPOLBGAA
SCHEMBL14059227 0.82 TDP1 (0.43) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7708928 0.78 CYP2A6 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL14059357 0.74 PDE10A (0.34) ALDH1A1NPC1RAB9ACASP1CASP7
SCHEMBL656011 0.73 CASP1 (0.55) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL30067461 0.73 CASP1 (0.55) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL14059978 0.71 DHODH (0.37) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6805073 0.70 PDE10A (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4878376 0.70 CASP1 (0.55) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL14059199 0.69 SMN1; SMN2 (0.54) NPC1RAB9AMEN1KMT2AATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604024-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-05-23 US disclosed
WO-2012162330-A1 TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, SCN2B ALDH1A1 2462/4885NPC1 413/4885RAB9A 4510/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.